2,3,5,6-tetraethyl-1,4,2,5-dioxadiborinane

C10H22B2O2 — CID 549995

IUPAC2,3,5,6-tetraethyl-1,4,2,5-dioxadiborinane
SMILESCCB1OC(CC)B(CC)OC1CC
InChIInChI=1S/C10H22B2O2/c1-5-9-11(7-3)14-10(6-2)12(8-4)13-9/h9-10H,5-8H2,1-4H3
InChIKeyDXWXODBQZQSAPL-UHFFFAOYSA-N
MW195.91 g/mol
LogP2.69
Rot. Bonds4

About 2,3,5,6-tetraethyl-1,4,2,5-dioxadiborinane

2,3,5,6-tetraethyl-1,4,2,5-dioxadiborinane (PubChem CID 549995) has the molecular formula C10H22B2O2 and a molecular weight of 195.91 g/mol. Its IUPAC name is 2,3,5,6-tetraethyl-1,4,2,5-dioxadiborinane.

Molecular Properties

Compound Name2,3,5,6-tetraethyl-1,4,2,5-dioxadiborinane
PubChem CID549995
Molecular FormulaC10H22B2O2
Molecular Weight195.91 g/mol
Exact Mass196.18
IUPAC Name2,3,5,6-tetraethyl-1,4,2,5-dioxadiborinane
SMILESCCB1OC(CC)B(CC)OC1CC
InChIInChI=1S/C10H22B2O2/c1-5-9-11(7-3)14-10(6-2)12(8-4)13-9/h9-10H,5-8H2,1-4H3
InChIKeyDXWXODBQZQSAPL-UHFFFAOYSA-N
XLogP2.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.91
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetraethyl-1,4,2,5-dioxadiborinane?
The IUPAC name of 2,3,5,6-tetraethyl-1,4,2,5-dioxadiborinane (CID 549995) is 2,3,5,6-tetraethyl-1,4,2,5-dioxadiborinane.
What is the SMILES notation for 2,3,5,6-tetraethyl-1,4,2,5-dioxadiborinane?
The canonical SMILES for 2,3,5,6-tetraethyl-1,4,2,5-dioxadiborinane is CCB1OC(CC)B(CC)OC1CC.
What is the InChIKey of 2,3,5,6-tetraethyl-1,4,2,5-dioxadiborinane?
The InChIKey is DXWXODBQZQSAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22B2O2/c1-5-9-11(7-3)14-10(6-2)12(8-4)13-9/h9-10H,5-8H2,1-4H3.
What are the key properties of 2,3,5,6-tetraethyl-1,4,2,5-dioxadiborinane?
2,3,5,6-tetraethyl-1,4,2,5-dioxadiborinane has a molecular weight of 195.91 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetraethyl-1,4,2,5-dioxadiborinane is sourced from PubChem (CID 549995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).